Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAPDH | P04406 | 1/20 | 0.39 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.38 |
| ▸ | CD74 | P04233 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8945487 | 0.93 | KDM4E (0.50) | NQO1KDM4EALDH1A1GLAGAA | |
| SCHEMBL8945281 | 0.88 | LMNA (0.47) | NQO1KDM4EALDH1A1GAANPC1 | |
| SCHEMBL8945550 | 0.85 | NQO1 (0.50) | NQO1ALDH1A1MEN1KMT2AVKORC1 | |
| SCHEMBL8945267 | 0.85 | NQO1 (0.40) | NQO1KDM4EALDH1A1HSD17B10NPC1 | |
| SCHEMBL8945341 | 0.84 | NQO1 (0.40) | NQO1ALDH1A1MEN1KMT2AVKORC1 | |
| SCHEMBL8945493 | 0.81 | AKR1C3 (0.52) | NQO1KDM4EALDH1A1GAAHSD17B10 | |
| SCHEMBL8945484 | 0.80 | NQO1 (0.40) | NQO1VKORC1 | |
| SCHEMBL8945575 | 0.79 | NQO1 (0.40) | NQO1VKORC1 | |
| SCHEMBL8945650 | 0.77 | CYP2C9 (0.50) | NQO1ALDH1A1MEN1KMT2AVKORC1 | |
| SCHEMBL8945416 | 0.72 | NQO1 (0.47) | NQO1KDM4EALDH1A1GLAGAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5510375-A | VIRICIDES TREATING INFECTION CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS AND AIDS | WARNER-LAMBERT COMPANY (US) | 1996-04-23 | — | — | US | disclosed |